SCHEMBL4331649

SCHEMBL4331649

Nc1c(C(=O)O)ccc(CC(=O)O)c1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.40
G6PD P11413 1/20 0.40
CASP7 P55210 1/20 0.40
LMNA P02545 2/20 0.39
ABCB11 O95342 1/20 0.39
PTGS1 P23219 1/20 0.39
ADORA1 P30542 1/20 0.39
PTGS2 P35354 1/20 0.39
AKR1B1 P15121 2/20 0.38
DUSP3 P51452 1/20 0.38
PTPN5 P54829 1/20 0.38
PTPN11 Q06124 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
CYP1A2 P05177 3/20 0.37
MAPT P10636 4/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
MAPK1 P28482 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29193630 0.81 CYP1A2 (0.42) LMNAABCB11PTGS1ADORA1PTGS2
SCHEMBL15211055 0.80 PTGS1 (0.41) CASP6G6PDCASP7LMNAABCB11
SCHEMBL20153353 0.76 PTGS1 (0.41) CASP6G6PDCASP7LMNAABCB11
SCHEMBL6241910 0.76 ABCB11 (0.62) CASP6G6PDCASP7LMNAABCB11
SCHEMBL5169474 0.76 GABRP (0.47) CASP6G6PDCASP7LMNACYP1A2
SCHEMBL28545017 0.75 DUSP3 (0.49) AKR1B1DUSP3PTPN5PTPN11CTDSP1
SCHEMBL10626499 0.73 CASP6 (0.39) CASP6G6PDCASP7LMNACYP1A2
SCHEMBL29792992 0.72 CASP7 (0.58) CASP6G6PDCASP7LMNAPTGS2
SCHEMBL690406 0.72 CASP7 (0.58) CASP6G6PDCASP7LMNAPTGS2
SCHEMBL2386426 0.72 KDM4E (0.55) CASP6CASP7PTGS2AKR1B1CYP1A2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009085211-A2 WOOD PRESERVATIVE COMPOSITIONS OSMOSE, INC. (US) 2009-07-09 WO disclosed